5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine

C8H6BrClN4S — CID 103583844

IUPAC5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
SMILESCc1nc(Sc2ncc(Br)cc2Cl)n[nH]1
InChIInChI=1S/C8H6BrClN4S/c1-4-12-8(14-13-4)15-7-6(10)2-5(9)3-11-7/h2-3H,1H3,(H,12,13,14)
InChIKeyRKFMVGMIVORUNL-UHFFFAOYSA-N
MW305.59 g/mol
LogP3.08
Rot. Bonds2

About 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine

5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine (PubChem CID 103583844) has the molecular formula C8H6BrClN4S and a molecular weight of 305.59 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
PubChem CID103583844
Molecular FormulaC8H6BrClN4S
Molecular Weight305.59 g/mol
Exact Mass303.92
IUPAC Name5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
SMILESCc1nc(Sc2ncc(Br)cc2Cl)n[nH]1
InChIInChI=1S/C8H6BrClN4S/c1-4-12-8(14-13-4)15-7-6(10)2-5(9)3-11-7/h2-3H,1H3,(H,12,13,14)
InChIKeyRKFMVGMIVORUNL-UHFFFAOYSA-N
XLogP3.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.59
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The IUPAC name of 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine (CID 103583844) is 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine is Cc1nc(Sc2ncc(Br)cc2Cl)n[nH]1.
What is the InChIKey of 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
The InChIKey is RKFMVGMIVORUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4S/c1-4-12-8(14-13-4)15-7-6(10)2-5(9)3-11-7/h2-3H,1H3,(H,12,13,14).
What are the key properties of 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine?
5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine has a molecular weight of 305.59 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine is sourced from PubChem (CID 103583844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).